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CAS No.: | 1124-63-6 |
---|---|
Name: | 3-CYCLOHEXYL-1-PROPANOL |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C9H18O |
Molecular Weight: | 142.241 |
Synonyms: | 3-Cyclohexyl-1-propanol;3-Cyclohexylpropanol;3-Cyclohexylpropyl alcohol;NSC 20787; |
EINECS: | 214-401-5 |
Density: | 0.9 g/cm3 |
Melting Point: | -60 °C |
Boiling Point: | 218 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 2.33920 |
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The Cyclohexanepropanol, with the CAS registry number 1124-63-6, is also known as 3-Cyclohexyl-1-propanol and 3-Cyclohexylpropanol. It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 214-401-5. This chemical's molecular formula is C9H18O and molecular weight is 142.24. What's more, both its IUPAC name and systematic name are the same which is called 3-Cyclohexylpropan-1-ol.
Physical properties about Cyclohexanepropanol are: (1) ACD/LogP: 2.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.93; (4) ACD/LogD (pH 7.4): 2.93; (5) ACD/BCF (pH 5.5): 100.1; (6) ACD/BCF (pH 7.4): 100.1; (7) ACD/KOC (pH 5.5): 940.87; (8) ACD/KOC (pH 7.4): 940.87; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 9.23 Å2; (13) Index of Refraction: 1.458; (14) Molar Refractivity: 43.16 cm3; (15) Molar Volume: 158 cm3; (16) Polarizability: 17.11×10-24 cm3; (17) Surface Tension: 33.7 dyne/cm; (18) Density: 0.9 g/cm3; (19) Flash Point: 101.7 °C; (20) Enthalpy of Vaporization: 52.84 kJ/mol; (21) Boiling Point: 218 °C at 760 mmHg; (22) Vapour Pressure: 0.0274 mmHg at 25 °C.
Preparation of Cyclohexanepropanol: this chemical is prepared by 2-(3-Cyclohexyl-propoxy)-tetrahydro-pyran. This reaction needs reagent CBr4 and solvent methanol at temperature of 65 °C. The reaction time is 2.5 hours. The yield is 90 %. And the reaction equation is as followed:
Use of Cyclohexanepropanol: it is used to produce other chemicals. For example, it is used to produce 3-Cyclohexyl-propionic acid. The reaction occurs with reagent Jones reagent and solvent acetone. The yield is 99 %. And the reaction equation is as followed:
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCCC1CCCCC1
(2) InChI: InChI=1/C9H18O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-8H2
(3) InChIKey: CLYAQFSQLQTVNO-UHFFFAOYAD